3-[3-(2-chloranylpropanoyl)-2,5-dimethyl-pyrrol-1-yl]benzenecarbonitrile

Systemtic Name: 3-[3-(2-chloranylpropanoyl)-2,5-dimethyl-pyrrol-1-yl]benzenecarbonitrile Openeye Name: 3-[3-(2-chloropropanoyl)-2,5-dimethyl-pyrrol-1-yl]benzonitrile CAS Name: 3-[3-(2-chloro-1-oxopropyl)-2,5-dimethyl-1-pyrrolyl]benzonitrile IUPAC Name: 3-[3-(2-chloropropanoyl)-2,5-dimethylpyrrol-1-yl]benzonitrile Traditional Name: 3-[3-(2-chloropropanoyl)-2,5-dimethyl-pyrrol-1-yl]benzonitrile Formula: C16H15ClN2O MolecularWeight: 286.7561

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC(=C2)C#N)C)C(=O)C(C)Cl

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC(=C2)C#N)C)C(=O)C(C)Cl

InChI

InChI=1S/C16H15ClN2O/c1-10-7-15(16(20)11(2)17)12(3)19(10)14-6-4-5-13(8-14)9-18/h4-8,11H,1-3H3